SCHEMBL3848673

SCHEMBL3848673

CCCCCCCn1c(=O)c(OCCCc2cccc(OC(C)(CCC)C(=O)O)c2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.44
PPARG P37231 8/20 0.44
PPARD Q03181 1/20 0.39
GGPS1 O95749 1/20 0.35
KCNH2 Q12809 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3840790 0.98 PPARA (0.46) PPARAPPARGPPARDGGPS1KCNH2
SCHEMBL3847187 0.96 PPARA (0.44) PPARAPPARGPPARDGGPS1KCNH2
SCHEMBL3842008 0.93 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3844826 0.92 PPARA (0.55) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3844620 0.92 PPARA (0.48) PPARAPPARGPPARDGGPS1CNR1
SCHEMBL3869431 0.91 PPARA (0.41) PPARAPPARGPPARDKCNH2CYP4F2
SCHEMBL3849389 0.90 PPARA (0.41) PPARAPPARGPPARDKCNH2CYP4F2
SCHEMBL3845812 0.90 PPARA (0.45) PPARAPPARGPPARDKCNH2CNR1
SCHEMBL3846346 0.90 PPARA (0.54) PPARAPPARGPPARDCYP4F2CYP4A11
SCHEMBL3841403 0.89 PPARA (0.43) PPARAPPARGPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed